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PUBCHEM-ZINC04682109

 MMsINC code: MMs03155544
Type: Neutral
Formula: C19H14N4O2S2
SMILES:   s1ccnc1NC(=O)CSC1=Nc2c(cccc2)C(=O)N1c1ccccc1
InChI:   InChI=1/C19H14N4O2S2/c24-16(22-18-20-10-11-26-18)12-27-19-21-15-9-5-4-8-14(15)17(25)23(19)13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22,24)

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Potential Energy
Epot(MMFF94)=91.2141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.479 g/mol  logS: -6.42496  SlogP: 4.1629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390301  Sterimol/B1: 2.56263  Sterimol/B2: 3.62117  Sterimol/B3: 3.62464
  Sterimol/B4: 11.5357  Sterimol/L: 17.0899 
 
 Surface and Volume Properties
  Accessible surface: 629.568  Positive charged surface: 353.687  Negative charged surface: 275.881  Volume: 348.25
  Hydrophobic surface: 497.759  Hydrophilic surface: 131.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.